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4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendic...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213479/ https://www.ncbi.nlm.nih.gov/pubmed/22091058 http://dx.doi.org/10.1107/S1600536811027280 |
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author | Ouahrouch, Abdelaaziz Lazrek, Hassan B. Taourirte, Moha El Azhari, Mohamed Saadi, Mohamed El Ammari, Lahcen |
author_facet | Ouahrouch, Abdelaaziz Lazrek, Hassan B. Taourirte, Moha El Azhari, Mohamed Saadi, Mohamed El Ammari, Lahcen |
author_sort | Ouahrouch, Abdelaaziz |
collection | PubMed |
description | The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendicular to the benzene ring and to the quinazoline system, making dihedral angles of 84.38 (10) and 76.55 (8)°, respectively. The stereochemical arrangement of the butanol chain, with a C—C—C—C torsion angle of 178.34 (19)°, corresponds to an antiperiplanar conformation. However the position of the –OH group is split into two very close [O—O = 0.810(3) Å] positions of equal occupancy. The crystal structure features O—H⋯N and O—H⋯O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position. |
format | Online Article Text |
id | pubmed-3213479 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32134792011-11-16 4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate Ouahrouch, Abdelaaziz Lazrek, Hassan B. Taourirte, Moha El Azhari, Mohamed Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendicular to the benzene ring and to the quinazoline system, making dihedral angles of 84.38 (10) and 76.55 (8)°, respectively. The stereochemical arrangement of the butanol chain, with a C—C—C—C torsion angle of 178.34 (19)°, corresponds to an antiperiplanar conformation. However the position of the –OH group is split into two very close [O—O = 0.810(3) Å] positions of equal occupancy. The crystal structure features O—H⋯N and O—H⋯O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position. International Union of Crystallography 2011-07-13 /pmc/articles/PMC3213479/ /pubmed/22091058 http://dx.doi.org/10.1107/S1600536811027280 Text en © Ouahrouch et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Ouahrouch, Abdelaaziz Lazrek, Hassan B. Taourirte, Moha El Azhari, Mohamed Saadi, Mohamed El Ammari, Lahcen 4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate |
title | 4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate |
title_full | 4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate |
title_fullStr | 4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate |
title_full_unstemmed | 4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate |
title_short | 4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate |
title_sort | 4-(4-{[(2-phenylquinazolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)butan-1-ol hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213479/ https://www.ncbi.nlm.nih.gov/pubmed/22091058 http://dx.doi.org/10.1107/S1600536811027280 |
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